[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 2-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)ethanoate

Systemtic Name: [(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 2-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)ethanoate Openeye Name: [(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] 2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetate CAS Name: 2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetic acid [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetate Traditional Name: 2-(2-keto-6-nitro-1,3-benzoxazol-3-yl)acetic acid [(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H19N3O7 MolecularWeight: 365.33796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)OC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])OC1=O

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)OC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])OC1=O

InChI

InChI=1S/C16H19N3O7/c1-9(2)7-17-15(21)10(3)25-14(20)8-18-12-5-4-11(19(23)24)6-13(12)26-16(18)22/h4-6,9-10H,7-8H2,1-3H3,(H,17,21)/t10-/m0/s1